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Geometry for CH3MgBr (Methyl Magnesium Bromide) 1A1 C3V

1910171554
InChI=1S/CH3.BrH.Mg/h1H3;1H;/q;;+1/p-1 INChIKey=

BLYP/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -3.0415   -3.0415 0.0000 -0.0000
Mg2 0.0000 0.0000 -1.0527   -1.0527 0.0000 -0.0000
Br3 0.0000 0.0000 1.1793   1.1793 0.0000 0.0000
H4 0.0000 1.0238 -3.4644   -3.4644 -1.0238 -0.0000
H5 0.8867 -0.5119 -3.4644   -3.4644 0.5119 -0.8867
H6 -0.8867 -0.5119 -3.4644   -3.4644 0.5119 0.8867
Atom - Atom Distances (Å)
  C1 Mg2 Br3 H4 H5 H6
C1 1.9888 4.2208 1.1078 1.1078 1.1078
Mg2 1.9888 2.2320 2.6200 2.6200 2.6200
Br3 4.2208 2.2320 4.7553 4.7553 4.7553
H4 1.1078 2.6200 4.7553 1.7734 1.7734
H5 1.1078 2.6200 4.7553 1.7734 1.7734
H6 1.1078 2.6200 4.7553 1.7734 1.7734
Maximum atom distance is 4.7553Å between atoms Br3 and H4.
picture of Methyl Magnesium Bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 Mg2 Br3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Mg2 C1 H4 112.445 Mg2 C1 H5 112.445
Mg2 C1 H6 112.445 H4 C1 H5 106.341
H4 C1 H6 106.341 H5 C1 H6 106.341

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.